Geometry & MOs

Info

ID:	94801
PubChem CID:	50003987
Reduced:	O4N5C33H45 (1)
Stoich.:	A4B5C33D45 (1)
Weight, g/mol:	570.22055
ΔH_f, kcal/mol:	-169.08
Dipole, Da:	7.89
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations